Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL6672015 | 0.98 | ESR1 (0.43) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL8575102 | 0.87 | PDCD1 (0.37) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL395673 | 0.80 | ESR1 (0.44) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL6547407 | 0.79 | ESR1 (0.47) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL30231281 | 0.79 | ESR1 (0.47) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL31083860 | 0.79 | — | — | |
| SCHEMBL1422357 | 0.79 | — | — | |
| SCHEMBL3306785 | 0.79 | ESR1 (0.47) | ESR1ESR2TRPA1ATMTP53 | |
| SCHEMBL12806433 | 0.78 | TAAR1 (0.37) | ESR1ESR2TRPA1ATMTAAR1 | |
| SCHEMBL21337908 | 0.78 | GABRA1 (0.46) | PDCD1CD274 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023192901-A9 | QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS | ESCIENT PHARMACEUTICALS, INC. (US) | 2023-12-14 | — | — | WO | disclosed |
| WO-2023192901-A1 | QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS | ESCIENT PHARMACEUTICALS, INC. (US) | 2023-10-05 | — | — | WO | disclosed |
| WO-2009053709-A1 | PROCESS FOR THE PREPARATION OF MEDETOMIDINE | NORBROOK LABORATORIES LIMITED (GB) | 2009-04-30 | — | — | WO | disclosed |
| WO-2007066784-A2 | DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-06-14 | — | — | WO | disclosed |
| EP-1099690-A1 | MONOCYCLIC $g(b)-LACTAM COMPOUNDS AND CHYMASE INHIBITORS CONTAINING THE SAME | SHIONOGI & CO., LTD. (JP) | 2001-05-16 | — | — | EP | disclosed |